Dihexyl ether (HCID 8198)

Namen und Bezeichner

Bevorzugter Name: Dihexyl ether
IUPAC: 1-hexoxyhexane
Englischer Name: DIHEXYL ETHER
Summenformel: C12H26O
Molmasse: 186.33

Namen und Synonyme

Dihexyl ether112-58-3Hexyl etherN-Hexyl etherHexane, 1,1'-oxybis-DI-N-HEXYL ETHERBis(1-hexyl)etherBis(1-hexyl) ether1,1'-Oxybis(hexane)NSC 9286EINECS 203-987-8BRN 1738177

Weitere Namen anzeigen

n-hexylether,dihexylHexylEther>Ether, dihexyl1-hexoxyhexane

AI3-01454W1U07QA435NSC-9286UNII-W1U07QA435DTXSID8059421EC 203-987-84-01-00-01698 (Beilstein Handbook Reference)Dinhexyl ether

Datenbank-Bezeichner

CAS: 112-58-3
PubChem CID: 8198
DTXSID: DTXSID8059421
UNII: W1U07QA435
EC Number: 203-987-8
Nikkaji: J1.996H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 10
Schwere Atome: 13
Formalladung: 0
Komplexität: 71

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.04 [mmHg]

Physical Description · 2 Einträge

Liquid

Clear colorless liquid; [Sigma-Aldrich MSDS]

Kovats Retention Index · 3 Einträge

1265；1228；1269；1269；1265；1287

1264

1367；1368；1349；1359；1368

Physikochemische Eigenschaften

Schmelzpunkt: -43 °C · -43°C
Siedepunkt: 228 · 228-229 °C(lit.)
Dichte: 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
Dampfdruck: 15 Pa · 15Pa at 20℃
Brechungsindex: 20 · n20/D 1.4204(lit.)
Flammpunkt: 173 °F · 173 °F
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Fully miscible in water.
BRN: 1738177 · 1738177
Henry's Law Constant: 2.9 · 2.9×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C12H26O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: BPIUIOXAFBGMNB-UHFFFAOYSA-N
SMILES: CCCCCCOCCCCCC
LogP: 4.98 · 4.98
CAS Datenbank: 112 · 112-58-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · Hexane, 1,1'-oxybis- (112-58-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

H413 (90.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Hazards SummaryA mild skin irritant; Causes altered sleep time (including change in righting reflex) in intravenous lethal-dose studies of mice; [RTECS] A mild skin irritant; [Sigma-Aldrich MSDS]

Peroxide Forming Chemical · 3 Einträge

n-Hexyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAquatic Chronic 4 (90.5%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Hexane, 1,1'-oxybis-

Hexane, 1,1'-oxybis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,1'-oxybis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16485

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 2909.19.1800
RTECS-Nr.: KN8600000
risk_code: 66
Toxizität: mouse,LDLo,intravenous,885mg/kg (885mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX),Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
safety_code: 26-36/37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Sens. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 322,977 lb；2022: 26,455 lb；2021: 495,930 lb；2020: 257,610 lb

Industry UsesCleaning agent；Solvent

General Manufacturing Information · 2 Einträge

Oil and Gas Drilling, Extraction, and Support activities

Hexane, 1,1'-oxybis-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenDihexyl ether has been used as: supported liquid membrane during hollow-fiber liquid-phase microextraction method for determination of nitrophenolic compounds from atmospheric aerosol particles, an extraction solvent to detect avermectins in stream water by hollow-fiber-assisted liquid-phase microextraction technique coupled with LC-MS/MS.